| SpectraBase Spectrum ID |
CmEipS13lif |
| Name |
4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzoic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.045485566 u |
| Formula |
C16H12ClNO4 |
| InChI |
InChI=1S/C16H12ClNO4/c17-10-4-3-9(16(21)22)6-11(10)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2,(H,21,22)/t7-,8+,12+,13- |
| InChIKey |
OOAQNSGOQMNMLB-GRUGVGOFSA-N |
| Molecular Weight |
317.728 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_753 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8056759; Lab Info: KWN; Lab Number: KWN-0002086 |
| Temperature |
23.85 °C |
![4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzoic acid](/api/spectrum/CmEipS13lif/structure.png?h=300&w=458 "4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzoic acid")
